CAS Registry Number®
35189-28-7
CAS Name
Norgestimate
Molecular Formula
C23H31NO3
Molecular Mass
369.50
Compound Properties
-
Melting Point (1)
216 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/t18-,19+,20+,21-,22-,23-/m0/s1
InChIKey
InChIKey=KIQQMECNKUGGKA-GOMYTPFNSA-N
SMILES
C(C)[C@@]12[C@](OC(C)=O)(C#C)CC[C@]1([C@]3([C@](CC2)([C@@]4(C(CC3)=CC(=NO)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(OC1(C#C)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC)C
Other Names for this Substance
- 18,19-Dinorpregn-4-en-20-yn-3-one, 17-(acetyloxy)-13-ethyl-, 3-oxime, (17α)-
- Dexnorgestrel acetime
- Norgestimate
- ORF 10131
- RWJ 10131
- D 138
- d-(17α)-17-Acetoxy-13-ethyl-18,19-dinorpregn-4-en-20-yn-3-one oxime
